5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

C56H38N2 — CID 156642987

IUPAC5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESC=c1/c(=C\C=C/C)n(-c2ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc2)c2ccccc12
InChIInChI=1S/C56H38N2/c1-3-4-23-52-36(2)41-15-8-13-24-53(41)57(52)39-30-26-37(27-31-39)38-28-32-40(33-29-38)58-54-25-14-9-19-45(54)47-34-46-44-18-7-12-22-50(44)56(51(46)35-55(47)58)48-20-10-5-16-42(48)43-17-6-11-21-49(43)56/h3-35H,2H2,1H3/b4-3-,52-23+
InChIKeyNVSDFRRCXPDCGL-RLCVDQELSA-N
MW738.93 g/mol
LogP12.51
Rot. Bonds4

About 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 156642987) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
PubChem CID156642987
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESC=c1/c(=C\C=C/C)n(-c2ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc2)c2ccccc12
InChIInChI=1S/C56H38N2/c1-3-4-23-52-36(2)41-15-8-13-24-53(41)57(52)39-30-26-37(27-31-39)38-28-32-40(33-29-38)58-54-25-14-9-19-45(54)47-34-46-44-18-7-12-22-50(44)56(51(46)35-55(47)58)48-20-10-5-16-42(48)43-17-6-11-21-49(43)56/h3-35H,2H2,1H3/b4-3-,52-23+
InChIKeyNVSDFRRCXPDCGL-RLCVDQELSA-N
XLogP12.51
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] with MolForge

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Related Compounds

5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
CID 134551673
CID 134551673
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492473

Frequently Asked Questions

What is the IUPAC name of 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 156642987) is 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is C=c1/c(=C\C=C/C)n(-c2ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc2)c2ccccc12.
What is the InChIKey of 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The InChIKey is NVSDFRRCXPDCGL-RLCVDQELSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-4-23-52-36(2)41-15-8-13-24-53(41)57(52)39-30-26-37(27-31-39)38-28-32-40(33-29-38)58-54-25-14-9-19-45(54)47-34-46-44-18-7-12-22-50(44)56(51(46)35-55(47)58)48-20-10-5-16-42(48)43-17-6-11-21-49(43)56/h3-35H,2H2,1H3/b4-3-,52-23+.
What are the key properties of 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 738.93 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 156642987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).